4-[(1S)-6,7-diethoxy-1-(4-methoxyphenyl)-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoate

Systemtic Name: 4-[(1S)-6,7-diethoxy-1-(4-methoxyphenyl)-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: 4-[(1S)-6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate CAS Name: 4-[(1S)-6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate IUPAC Name: 4-[(1S)-6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate Traditional Name: 4-[(1S)-6,7-diethoxy-3-keto-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-2-yl]benzoate Formula: C27H26NO6- MolecularWeight: 460.49844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H](N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)OC)OCC

InChI

InChI=1S/C27H27NO6/c1-4-33-23-14-19-15-25(29)28(20-10-6-18(7-11-20)27(30)31)26(22(19)16-24(23)34-5-2)17-8-12-21(32-3)13-9-17/h6-14,16,26H,4-5,15H2,1-3H3,(H,30,31)/p-1/t26-/m0/s1